On hydrogen bond correlations at high pressures

Abstract

In situ high pressure neutron diffraction measured lengths of O H and H O pairs in hydrogen bonds in substances are shown to follow the correlation between them established from 0.1 MPa data on different chemical compounds. In particular, the conclusion by Nelmes et al that their high pressure data on ice VIII differ from it is not supported. For compounds in which the O H stretching frequencies red shift under pressure, it is shown that wherever structural data is available, they follow the stretching frequency versus H O (or O O) distance correlation. For compounds displaying blue shifts with pressure an analogy appears to exist with improper hydrogen bonds.

12 pages,4 figures

Cited by in corpus (3)

• Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure
• Investigation of structure and hydrogen bonding of super-hydrous phase B (HT) under pressure using first principles density functional calculations
• High pressure investigations on Hydrous Magnesium Silicate-Phase A using first principles calculations, H--H repulsion and O-H bond compression